15-[4-(4-bromanylbutoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-[4-(4-bromanylbutoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 15-[4-(4-bromobutoxy)phenyl]-5,10,20-tris(4-methoxyphenyl)-21,22-dihydroporphine Formula: C51H43BrN4O4 MolecularWeight: 855.81552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCCCCBr)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCCCCBr)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

InChI

InChI=1S/C51H43BrN4O4/c1-57-36-14-6-32(7-15-36)48-40-22-24-42(53-40)49(33-8-16-37(58-2)17-9-33)44-26-28-46(55-44)51(35-12-20-39(21-13-35)60-31-5-4-30-52)47-29-27-45(56-47)50(43-25-23-41(48)54-43)34-10-18-38(59-3)19-11-34/h6-29,53-54H,4-5,30-31H2,1-3H3